Information card for entry 1514925

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: O=C1C(c2c(C=C1)cccc2)=CNCc1occc1
• Title of publication: A water soluble Al3+ selective colorimetric and fluorescent turn-on chemosensor and its application in living cell imaging.
• Authors of publication: Sen, Supriti; Mukherjee, Titas; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Marek, Jaromir; Chattopadhyay, Pabitra
• Journal of publication: The Analyst
• Year of publication: 2012
• Journal volume: 137
• Journal issue: 17
• Pages of publication: 3975 - 3981
• a: 9.7368 ± 0.0005 Å
• b: 9.5514 ± 0.0004 Å
• c: 13.8091 ± 0.0007 Å
• α: 90°
• β: 107.501 ± 0.005°
• γ: 90°
• Cell volume: 1224.8 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1514924
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No